To download an item:
To submit a new item, email to email@example.com.
To ensure that your new rotamer library files are properly registered and
contain no errors, click on Validate.
The newly added rotamer library mdb ($HOME/nnnb/nomr_rotamers.mdb) should now be listed as a defined rotamer library file.
Right click on the System Manager ligand line to see the new menu item "RSC Lookup"
Right click on the System Manager ligand line to see the new menu item EBI Lookup For a database of molecules, use ebilookup_mdb ['test.mdb','mol'] to lookup mol field
Use MOE | Extra | MOE Scenes to start the application.
Browse to see the sample database from step 3 above.
local function main 
run '$FMOE_DIR/loader.svl'; endfunction
QFSS, Quick Federated Structure Search, provides means to search huge database stored across multiple mdb files. Based on our original substructure fingerprint and indexing technology, you can handle huge molecular database containing even hundreds of millions of entries stored separately in multiple mdb files. QFSS does not require any database engine, such as Oracle or SQL Server, nor high spec hardware. Even a laptop PC, you can search tens of millions entries in your mdb files.
QFSS SOAP version is also available. Via SOAP functions, you can run QFSS on remote server from your MOE client or from internet browser.
QFSS package contains SVL code, SSFP definition file and sample databases(ChEMBL and Leadlike Conformer Database) with index files for your convenience. The attached file contains only the manual. To receive the full download instructions for this package please contact firstname.lastname@example.org